SCHEMBL3631995

SCHEMBL3631995

O=C(CNc1ccc(Cl)c(Cl)c1)N/N=C/c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 1/20 0.54
CFTR P13569 1/20 0.53
ERCC1 P07992 2/20 0.51
ERCC4 Q92889 2/20 0.51
GRK2 P25098 7/20 0.50
ROCK2 O75116 2/20 0.50
MEN1 O00255 5/20 0.49
POLB P06746 3/20 0.49
MAPK1 P28482 2/20 0.49
GRK3 P35626 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3631996 1.00 KMT2A (0.54) KMT2AMAPTLMNACFTRERCC1
SCHEMBL690273 0.88 GRK2 (0.65) KMT2AMAPTCFTRERCC1ERCC4
SCHEMBL690272 0.88 GRK2 (0.65) KMT2AMAPTCFTRERCC1ERCC4
SCHEMBL3634230 0.87 MAPT (0.51) KMT2AMAPTLMNACFTRERCC1
SCHEMBL3634227 0.87 MAPT (0.51) KMT2AMAPTLMNACFTRERCC1
SCHEMBL3630016 0.85 GRK2 (0.69) KMT2AMAPTLMNACFTRERCC1
SCHEMBL3630014 0.85 GRK2 (0.69) KMT2AMAPTLMNACFTRERCC1
SCHEMBL1669195 0.83 GRK2 (0.55) KMT2AMAPTCFTRERCC1ERCC4
SCHEMBL1669192 0.83 GRK2 (0.55) KMT2AMAPTCFTRERCC1ERCC4
SCHEMBL12648528 0.83 CFTR (0.77) KMT2AMAPTLMNACFTRERCC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP claimed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US claimed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 KMT2A 4688/4885MAPT 4853/4885LMNA 4314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.